SCHEMBL5690296

SCHEMBL5690296

C=CCC(CC=C)(c1ccccc1)C(CC=C)(CC=C)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
ALDH1A1 P00352 3/20 0.55
HTT P42858 1/20 0.52
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ATM Q13315 1/20 0.38
MAPK1 P28482 1/20 0.37
KCNN4 O15554 1/20 0.36
TAAR1 Q96RJ0 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP1A2 P05177 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9788880 0.81 HTT (0.53) TSHRALDH1A1HTTKMT2AMAPT
SCHEMBL7740564 0.80 TSHR (0.55) TSHRALDH1A1HTTKMT2AMAPT
SCHEMBL1862170 0.80 TSHR (0.55) TSHRALDH1A1HTTKMT2AMAPT
SCHEMBL601038 0.78 TSHR (0.53) TSHRALDH1A1HTTKMT2AMAPT
SCHEMBL30434815 0.78 HTT (0.55) TSHRALDH1A1HTTKMT2AMAPT
Ammonia Solution, Strong SCHEMBL11170544 0.78 TSHR (0.53) TSHRALDH1A1HTTKMT2AMAPT
SCHEMBL2688608 0.76 HTT (0.53) TSHRALDH1A1HTTKMT2AMAPT
SCHEMBL15644141 0.76 TSHR (0.52) TSHRALDH1A1HTTKMT2AMAPT
SCHEMBL21602929 0.76 TSHR (0.52) TSHRALDH1A1HTTKMT2AMAPT
SCHEMBL1591769 0.76 ALDH1A1 (0.52) TSHRALDH1A1HTTKMT2AMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1632525-A1 Flame retardant compositions Dai-Ichi F R Co., Ltd. (JP) 2006-03-08 EP disclosed
US-20060047049-A1 Flame retardant compositions for flammable plastics and flame retarded plastic compositions containing the same DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 2006-03-02 US disclosed